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13022-85-0 | Hexanoic acid, 2-oxo-, sodium salt (1:1)
CAS No: 13022-85-0 Catalog No: AG000U69 MDL No:MFCD00013063
Product Description
Catalog Number:
AG000U69
Chemical Name:
Hexanoic acid, 2-oxo-, sodium salt (1:1)
CAS Number:
13022-85-0
Molecular Formula:
C6H9NaO3
Molecular Weight:
152.1236
MDL Number:
MFCD00013063
IUPAC Name:
sodium;2-oxohexanoate
InChI:
InChI=1S/C6H10O3.Na/c1-2-3-4-5(7)6(8)9;/h2-4H2,1H3,(H,8,9);/q;+1/p-1
InChI Key:
WDCARDDLMCHULC-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C(=O)CCCC.[Na+]
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.125g/mol
Monoisotopic Mass:
152.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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